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CAS No.: | 18903-05-4 |
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Name: | 1-HEXANOYL-PIPERAZINE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C10H20N2O |
Molecular Weight: | 184.2786 |
Synonyms: | Piperazine,1-(1-oxohexyl)- (9CI);Piperazine, 1-hexanoyl- (8CI);1-Hexanoylpiperazine; |
Density: | 0.965 g/cm3 |
Boiling Point: | 316.3 °C at 760 mmHg |
Flash Point: | 145.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 32.34000 |
LogP: | 1.26520 |
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The 1-Hexanone,1-(1-piperazinyl)-, with the CAS registry number 18903-05-4, is also known as 1-Hexanoylpiperazine. It belongs to the product category of Piperazines. This chemical's molecular formula is C10H20N2O and molecular weight is 184.28. What's more, both its IUPAC name and systematic name are the same which is called 1-Piperazin-1-ylhexan-1-one. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 1-Hexanone,1-(1-piperazinyl)- are: (1) ACD/LogP: 1.35; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -0.43; (4) ACD/LogD (pH 7.4): 1.1; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 3.5; (7) ACD/KOC (pH 5.5): 2.13; (8) ACD/KOC (pH 7.4): 72.26; (9) #H bond acceptors: 3; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 23.55 Å2; (13) Index of Refraction: 1.468; (14) Molar Refractivity: 53.09 cm3; (15) Molar Volume: 190.8 cm3; (16) Surface Tension: 33.9 dyne/cm; (17) Density: 0.965 g/cm3; (18) Flash Point: 145.1 °C; (19) Enthalpy of Vaporization: 55.76 kJ/mol; (20) Boiling Point: 316.3 °C at 760 mmHg; (21) Vapour Pressure: 0.000414 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N1CCNCC1)CCCCC
(2) InChI: InChI=1/C10H20N2O/c1-2-3-4-5-10(13)12-8-6-11-7-9-12/h11H,2-9H2,1H3
(3) InChIKey: ZVWWNYWKAQNQTM-UHFFFAOYAY